N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide

C22H24N2O6S2 — CID 3801791

IUPACN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1OC
InChIInChI=1S/C22H24N2O6S2/c1-15-6-5-7-16(2)22(15)24-31(25,26)18-10-8-17(9-11-18)23-32(27,28)19-12-13-20(29-3)21(14-19)30-4/h5-14,23-24H,1-4H3
InChIKeyYASSJCNUDCSHQF-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.92
Rot. Bonds8

About N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide

N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 3801791) has the molecular formula C22H24N2O6S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID3801791
Molecular FormulaC22H24N2O6S2
Molecular Weight476.58 g/mol
Exact Mass476.11
IUPAC NameN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1OC
InChIInChI=1S/C22H24N2O6S2/c1-15-6-5-7-16(2)22(15)24-31(25,26)18-10-8-17(9-11-18)23-32(27,28)19-12-13-20(29-3)21(14-19)30-4/h5-14,23-24H,1-4H3
InChIKeyYASSJCNUDCSHQF-UHFFFAOYSA-N
XLogP3.92
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzenesulfonamide
CID 112985917
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
3,4-dimethoxy-N-[4-(4-methylanilino)phenyl]benzenesulfonamide
CID 112986058
N-[2-(hydroxymethyl)-6-methylphenyl]-3,4-dimethoxybenzenesulfonamide
CID 5184948
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 4828069
N-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 25331173
N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17217527
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide
CID 112980172
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 956359

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide (CID 3801791) is N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1OC.
What is the InChIKey of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is YASSJCNUDCSHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6S2/c1-15-6-5-7-16(2)22(15)24-31(25,26)18-10-8-17(9-11-18)23-32(27,28)19-12-13-20(29-3)21(14-19)30-4/h5-14,23-24H,1-4H3.
What are the key properties of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide?
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 476.58 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 3801791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).